2-(4-methylpiperazine-1-carbonyl)-5-(2-propan-2-yloxyethoxy)chromen-4-one

C20H26N2O5 — CID 12853017

IUPAC2-(4-methylpiperazine-1-carbonyl)-5-(2-propan-2-yloxyethoxy)chromen-4-one
SMILESCC(C)OCCOc1cccc2oc(C(=O)N3CCN(C)CC3)cc(=O)c12
InChIInChI=1S/C20H26N2O5/c1-14(2)25-11-12-26-16-5-4-6-17-19(16)15(23)13-18(27-17)20(24)22-9-7-21(3)8-10-22/h4-6,13-14H,7-12H2,1-3H3
InChIKeyLILALTLGTKBXSS-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.98
Rot. Bonds6

About 2-(4-methylpiperazine-1-carbonyl)-5-(2-propan-2-yloxyethoxy)chromen-4-one

2-(4-methylpiperazine-1-carbonyl)-5-(2-propan-2-yloxyethoxy)chromen-4-one (PubChem CID 12853017) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-(4-methylpiperazine-1-carbonyl)-5-(2-propan-2-yloxyethoxy)chromen-4-one.

Molecular Properties

Compound Name2-(4-methylpiperazine-1-carbonyl)-5-(2-propan-2-yloxyethoxy)chromen-4-one
PubChem CID12853017
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name2-(4-methylpiperazine-1-carbonyl)-5-(2-propan-2-yloxyethoxy)chromen-4-one
SMILESCC(C)OCCOc1cccc2oc(C(=O)N3CCN(C)CC3)cc(=O)c12
InChIInChI=1S/C20H26N2O5/c1-14(2)25-11-12-26-16-5-4-6-17-19(16)15(23)13-18(27-17)20(24)22-9-7-21(3)8-10-22/h4-6,13-14H,7-12H2,1-3H3
InChIKeyLILALTLGTKBXSS-UHFFFAOYSA-N
XLogP1.98
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-methylpiperazine-1-carbonyl)-5-(2-propan-2-yloxyethoxy)chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazine-1-carbonyl)-5-(2-propan-2-yloxyethoxy)chromen-4-one?
The IUPAC name of 2-(4-methylpiperazine-1-carbonyl)-5-(2-propan-2-yloxyethoxy)chromen-4-one (CID 12853017) is 2-(4-methylpiperazine-1-carbonyl)-5-(2-propan-2-yloxyethoxy)chromen-4-one.
What is the SMILES notation for 2-(4-methylpiperazine-1-carbonyl)-5-(2-propan-2-yloxyethoxy)chromen-4-one?
The canonical SMILES for 2-(4-methylpiperazine-1-carbonyl)-5-(2-propan-2-yloxyethoxy)chromen-4-one is CC(C)OCCOc1cccc2oc(C(=O)N3CCN(C)CC3)cc(=O)c12.
What is the InChIKey of 2-(4-methylpiperazine-1-carbonyl)-5-(2-propan-2-yloxyethoxy)chromen-4-one?
The InChIKey is LILALTLGTKBXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-14(2)25-11-12-26-16-5-4-6-17-19(16)15(23)13-18(27-17)20(24)22-9-7-21(3)8-10-22/h4-6,13-14H,7-12H2,1-3H3.
What are the key properties of 2-(4-methylpiperazine-1-carbonyl)-5-(2-propan-2-yloxyethoxy)chromen-4-one?
2-(4-methylpiperazine-1-carbonyl)-5-(2-propan-2-yloxyethoxy)chromen-4-one has a molecular weight of 374.44 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazine-1-carbonyl)-5-(2-propan-2-yloxyethoxy)chromen-4-one is sourced from PubChem (CID 12853017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).